2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C18H22FN3O3 — CID 36874378

IUPAC2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)on1
InChIInChI=1S/C18H22FN3O3/c1-12(2)15-9-18(25-21-15)20-17(23)11-22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyDIQFIELANYZULF-INIZCTEOSA-N
MW347.39 g/mol
LogP2.95
Rot. Bonds5

About 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 36874378) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID36874378
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)on1
InChIInChI=1S/C18H22FN3O3/c1-12(2)15-9-18(25-21-15)20-17(23)11-22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyDIQFIELANYZULF-INIZCTEOSA-N
XLogP2.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55566155
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 51934042
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349962
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
CID 55566264
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46571477
2-(4-methylpiperidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 17395553
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91829347
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 119041161

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 36874378) is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)on1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DIQFIELANYZULF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(2)15-9-18(25-21-15)20-17(23)11-22-7-8-24-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 36874378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).